UEH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C05 | C04 | sing | 1.53Å | 1.54Å | |
| C05 | N06 | sing | 1.47Å | 1.33Å | |
| C07 | N06 | sing | 1.47Å | 1.33Å | |
| C07 | C08 | sing | 1.51Å | 1.53Å | |
| C39 | C40 | doub | 1.38Å | 1.39Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.39Å | Aromatic |
| C40 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.53Å | 1.54Å | |
| C04 | C02 | sing | 1.53Å | 1.53Å | |
| N06 | C44 | sing | 1.47Å | 1.33Å | |
| C08 | C09 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C38 | C33 | doub | 1.40Å | 1.39Å | Aromatic |
| C44 | C45 | sing | 1.53Å | 1.52Å | |
| C02 | C45 | sing | 1.53Å | 1.51Å | |
| C02 | C01 | sing | 1.53Å | 1.52Å | |
| C09 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.39Å | Aromatic |
| C31 | C30 | sing | 1.51Å | 1.54Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | N29 | sing | 1.47Å | 1.47Å | |
| C10 | C14 | doub | 1.40Å | 1.37Å | Aromatic |
| C12 | C14 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | O13 | sing | 1.36Å | 1.40Å | |
| C33 | C32 | sing | 1.40Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.48Å | 1.52Å | |
| C21 | C20 | sing | 1.53Å | 1.54Å | |
| C21 | N23 | sing | 1.47Å | 1.45Å | |
| N29 | C28 | sing | 1.39Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C41 | C28 | doub | 1.39Å | 1.36Å | Aromatic |
| C41 | C24 | sing | 1.39Å | 1.37Å | Aromatic |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C15 | O43 | doub | 1.22Å | 1.19Å | |
| C15 | N16 | sing | 1.35Å | 1.45Å | |
| N23 | C24 | sing | 1.39Å | 1.45Å | |
| N23 | C22 | sing | 1.47Å | 1.46Å | |
| C28 | N27 | sing | 1.33Å | 1.32Å | Aromatic |
| C24 | N25 | doub | 1.33Å | 1.32Å | Aromatic |
| N16 | C17 | sing | 1.47Å | 1.44Å | |
| C22 | C18 | sing | 1.53Å | 1.52Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C18 | O42 | sing | 1.43Å | 1.39Å | |
| N27 | C26 | doub | 1.32Å | 1.36Å | Aromatic |
| N25 | C26 | sing | 1.32Å | 1.36Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C17 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C20 | H4 | sing | 1.09Å | 1.10Å | |
| C20 | H5 | sing | 1.09Å | 1.10Å | |
| C21 | H6 | sing | 1.09Å | 1.10Å | |
| C21 | H7 | sing | 1.09Å | 1.10Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C26 | H10 | sing | 1.08Å | 1.08Å | |
| C01 | H11 | sing | 1.09Å | 1.10Å | |
| C01 | H12 | sing | 1.09Å | 1.10Å | |
| C01 | H13 | sing | 1.09Å | 1.10Å | |
| C03 | H14 | sing | 1.09Å | 1.10Å | |
| C03 | H15 | sing | 1.09Å | 1.10Å | |
| C03 | H16 | sing | 1.09Å | 1.10Å | |
| C04 | H17 | sing | 1.09Å | 1.10Å | |
| C04 | H18 | sing | 1.09Å | 1.10Å | |
| C05 | H19 | sing | 1.09Å | 1.10Å | |
| C05 | H20 | sing | 1.09Å | 1.10Å | |
| C07 | H21 | sing | 1.09Å | 1.10Å | |
| C07 | H22 | sing | 1.09Å | 1.10Å | |
| C09 | H23 | sing | 1.08Å | 1.08Å | |
| C11 | H24 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.09Å | 1.10Å | |
| C19 | H26 | sing | 1.09Å | 1.10Å | |
| C30 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C32 | H29 | sing | 1.08Å | 1.08Å | |
| C38 | H31 | sing | 1.08Å | 1.08Å | |
| C39 | H32 | sing | 1.08Å | 1.08Å | |
| C40 | H33 | sing | 1.08Å | 1.08Å | |
| C41 | H34 | sing | 1.08Å | 1.08Å | |
| C44 | H35 | sing | 1.09Å | 1.10Å | |
| C44 | H36 | sing | 1.09Å | 1.10Å | |
| C45 | H37 | sing | 1.09Å | 1.10Å | |
| C45 | H38 | sing | 1.09Å | 1.10Å | |
| N16 | H40 | sing | 0.97Å | 1.00Å | |
| N29 | H41 | sing | 0.97Å | 1.00Å | |
| O13 | H42 | sing | 0.97Å | 0.95Å | |
| O42 | H43 | sing | 0.97Å | 0.95Å | |
| C33 | C1 | sing | 1.48Å | 66.06Å | |
| C1 | O1 | doub | 1.21Å | 0.00Å | |
| C1 | N1 | sing | 1.35Å | 0.00Å | |
| N1 | C4 | sing | 1.47Å | 0.00Å | |
| N1 | H30 | sing | 0.97Å | 0.00Å | |
| C4 | H39 | sing | 1.09Å | 0.00Å | |
| C4 | H44 | sing | 1.09Å | 0.00Å | |
| C4 | H45 | sing | 1.09Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C04 | C05 | N06 | 114.6° | 109.5° |
| C05 | C04 | C02 | 112.3° | 109.3° |
| C05 | C04 | H17 | 108.7° | 109.5° |
| C05 | C04 | H18 | 108.7° | 109.5° |
| C04 | C05 | H19 | 108.2° | 109.5° |
| C04 | C05 | H20 | 108.2° | 109.5° |
| C05 | N06 | C07 | 109.9° | 111.0° |
| C05 | N06 | C44 | 113.0° | 111.2° |
| N06 | C05 | H19 | 108.2° | 109.5° |
| N06 | C05 | H20 | 108.1° | 109.4° |
| N06 | C07 | C08 | 109.9° | 109.5° |
| C07 | N06 | C44 | 111.0° | 111.0° |
| N06 | C07 | H21 | 109.4° | 109.5° |
| N06 | C07 | H22 | 109.4° | 109.5° |
| C07 | C08 | C09 | 119.7° | 119.8° |
| C07 | C08 | C11 | 121.2° | 119.8° |
| C08 | C07 | H21 | 109.4° | 109.5° |
| C08 | C07 | H22 | 109.4° | 109.5° |
| C40 | C39 | C38 | 119.9° | 120.2° |
| C39 | C40 | C31 | 120.1° | 120.3° |
| C40 | C39 | H32 | 120.0° | 119.9° |
| C39 | C40 | H33 | 119.9° | 119.9° |
| C39 | C38 | C33 | 120.0° | 119.8° |
| C39 | C38 | H31 | 120.0° | 120.1° |
| C38 | C39 | H32 | 120.0° | 120.0° |
| C40 | C31 | C30 | 119.2° | 119.9° |
| C40 | C31 | C32 | 119.6° | 120.1° |
| C31 | C40 | H33 | 120.0° | 119.9° |
| C03 | C02 | C04 | 111.2° | 109.6° |
| C03 | C02 | C45 | 108.4° | 109.5° |
| C03 | C02 | C01 | 111.3° | 109.5° |
| C02 | C03 | H14 | 109.5° | 109.5° |
| C02 | C03 | H15 | 109.4° | 109.4° |
| C02 | C03 | H16 | 109.5° | 109.5° |
| C04 | C02 | C45 | 109.9° | 109.2° |
| C04 | C02 | C01 | 108.2° | 109.5° |
| C02 | C04 | H17 | 108.8° | 109.5° |
| C02 | C04 | H18 | 108.7° | 109.5° |
| N06 | C44 | C45 | 114.9° | 109.5° |
| N06 | C44 | H35 | 108.1° | 109.5° |
| N06 | C44 | H36 | 108.1° | 109.4° |
| C09 | C08 | C11 | 119.1° | 120.4° |
| C08 | C09 | C10 | 121.0° | 120.3° |
| C08 | C09 | H23 | 119.5° | 119.9° |
| C08 | C11 | C12 | 120.0° | 120.1° |
| C08 | C11 | H24 | 120.0° | 120.0° |
| C38 | C33 | C32 | 119.9° | 119.8° |
| C33 | C38 | H31 | 120.0° | 120.1° |
| C38 | C33 | C1 | 91.2° | 120.1° |
| C44 | C45 | C02 | 108.6° | 109.3° |
| C45 | C44 | H35 | 108.1° | 109.5° |
| C45 | C44 | H36 | 108.1° | 109.4° |
| C44 | C45 | H37 | 109.7° | 109.5° |
| C44 | C45 | H38 | 109.7° | 109.5° |
| C45 | C02 | C01 | 107.7° | 109.5° |
| C02 | C45 | H37 | 109.7° | 109.5° |
| C02 | C45 | H38 | 109.7° | 109.5° |
| C02 | C01 | H11 | 109.5° | 109.5° |
| C02 | C01 | H12 | 109.5° | 109.5° |
| C02 | C01 | H13 | 109.5° | 109.5° |
| C09 | C10 | C14 | 120.0° | 119.9° |
| C09 | C10 | H1 | 120.0° | 120.1° |
| C10 | C09 | H23 | 119.5° | 119.8° |
| C11 | C12 | C14 | 120.0° | 119.7° |
| C11 | C12 | O13 | 118.8° | 120.1° |
| C12 | C11 | H24 | 120.0° | 119.9° |
| C30 | C31 | C32 | 121.2° | 120.0° |
| C31 | C30 | N29 | 114.4° | 109.5° |
| C31 | C30 | H27 | 108.2° | 109.5° |
| C31 | C30 | H28 | 108.2° | 109.5° |
| C31 | C32 | C33 | 120.5° | 119.9° |
| C31 | C32 | H29 | 119.8° | 120.0° |
| C30 | N29 | C28 | 123.8° | 120.0° |
| N29 | C30 | H27 | 108.2° | 109.4° |
| N29 | C30 | H28 | 108.2° | 109.4° |
| C30 | N29 | H41 | 105.8° | 120.0° |
| C10 | C14 | C12 | 119.9° | 119.6° |
| C10 | C14 | C15 | 115.5° | 120.2° |
| C14 | C10 | H1 | 120.0° | 120.0° |
| C14 | C12 | O13 | 121.2° | 120.2° |
| C12 | C14 | C15 | 124.6° | 120.1° |
| C12 | O13 | H42 | 109.5° | 114.1° |
| C33 | C32 | H29 | 119.8° | 120.1° |
| C32 | C33 | C1 | 28.7° | 120.1° |
| C14 | C15 | O43 | 119.4° | 120.0° |
| C14 | C15 | N16 | 120.0° | 119.9° |
| C20 | C21 | N23 | 111.9° | 109.5° |
| C21 | C20 | C19 | 112.1° | 109.3° |
| C21 | C20 | H4 | 108.8° | 109.5° |
| C21 | C20 | H5 | 108.8° | 109.5° |
| C20 | C21 | H6 | 108.9° | 109.4° |
| C20 | C21 | H7 | 108.9° | 109.4° |
| C21 | N23 | C24 | 118.2° | 111.0° |
| C21 | N23 | C22 | 120.6° | 111.2° |
| N23 | C21 | H6 | 108.9° | 109.5° |
| N23 | C21 | H7 | 108.8° | 109.5° |
| N29 | C28 | C41 | 122.9° | 120.5° |
| N29 | C28 | N27 | 118.6° | 120.5° |
| C28 | N29 | H41 | 105.8° | 120.0° |
| C20 | C19 | C18 | 110.2° | 109.1° |
| C19 | C20 | H4 | 108.8° | 109.5° |
| C19 | C20 | H5 | 108.8° | 109.5° |
| C20 | C19 | H25 | 109.3° | 109.5° |
| C20 | C19 | H26 | 109.3° | 109.5° |
| C28 | C41 | C24 | 120.8° | 118.3° |
| C41 | C28 | N27 | 118.5° | 119.0° |
| C28 | C41 | H34 | 119.6° | 120.9° |
| C41 | C24 | N23 | 120.4° | 120.5° |
| C41 | C24 | N25 | 120.2° | 119.0° |
| C24 | C41 | H34 | 119.6° | 120.9° |
| C19 | C18 | C22 | 108.5° | 109.3° |
| C19 | C18 | C17 | 112.0° | 109.5° |
| C19 | C18 | O42 | 109.7° | 109.5° |
| C18 | C19 | H25 | 109.3° | 109.5° |
| C18 | C19 | H26 | 109.3° | 109.5° |
| O43 | C15 | N16 | 120.6° | 120.1° |
| C15 | N16 | C17 | 117.7° | 120.0° |
| C15 | N16 | H40 | 121.2° | 120.1° |
| C24 | N23 | C22 | 121.0° | 111.0° |
| N23 | C24 | N25 | 119.4° | 120.5° |
| N23 | C22 | C18 | 112.8° | 109.5° |
| N23 | C22 | H8 | 108.6° | 109.5° |
| N23 | C22 | H9 | 108.6° | 109.5° |
| C28 | N27 | C26 | 120.8° | 120.9° |
| C24 | N25 | C26 | 118.8° | 120.9° |
| N16 | C17 | C18 | 108.6° | 109.5° |
| N16 | C17 | H2 | 109.7° | 109.5° |
| N16 | C17 | H3 | 109.7° | 109.4° |
| C17 | N16 | H40 | 121.1° | 120.0° |
| C22 | C18 | C17 | 110.1° | 109.5° |
| C22 | C18 | O42 | 110.5° | 109.5° |
| C18 | C22 | H8 | 108.6° | 109.4° |
| C18 | C22 | H9 | 108.6° | 109.4° |
| C17 | C18 | O42 | 106.1° | 109.5° |
| C18 | C17 | H2 | 109.7° | 109.5° |
| C18 | C17 | H3 | 109.7° | 109.4° |
| C18 | O42 | H43 | 109.5° | 114.1° |
| N27 | C26 | N25 | 120.9° | 121.9° |
| N27 | C26 | H10 | 119.6° | 119.1° |
| N25 | C26 | H10 | 119.6° | 119.0° |
| H2 | C17 | H3 | 109.5° | 109.5° |
| H4 | C20 | H5 | 109.5° | 109.5° |
| H6 | C21 | H7 | 109.5° | 109.5° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H11 | C01 | H12 | 109.4° | 109.4° |
| H11 | C01 | H13 | 109.5° | 109.5° |
| H12 | C01 | H13 | 109.4° | 109.5° |
| H14 | C03 | H15 | 109.5° | 109.5° |
| H14 | C03 | H16 | 109.5° | 109.5° |
| H15 | C03 | H16 | 109.5° | 109.5° |
| H17 | C04 | H18 | 109.5° | 109.5° |
| H19 | C05 | H20 | 109.5° | 109.5° |
| H21 | C07 | H22 | 109.4° | 109.4° |
| H25 | C19 | H26 | 109.4° | 109.6° |
| H27 | C30 | H28 | 109.5° | 109.5° |
| H35 | C44 | H36 | 109.5° | 109.5° |
| H37 | C45 | H38 | 109.4° | 109.6° |
| C33 | C1 | O1 | 90.0° | 120.0° |
| C33 | C1 | N1 | 90.0° | 120.0° |
| O1 | C1 | N1 | 90.0° | 120.0° |
| C1 | N1 | C4 | 90.0° | 120.0° |
| C1 | N1 | H30 | 90.0° | 120.0° |
| C4 | N1 | H30 | 90.0° | 120.0° |
| N1 | C4 | H39 | 90.0° | 109.5° |
| N1 | C4 | H44 | 90.0° | 109.5° |
| N1 | C4 | H45 | 90.0° | 109.5° |
| H39 | C4 | H44 | 90.0° | 109.5° |
| H39 | C4 | H45 | 90.0° | 109.5° |
| H44 | C4 | H45 | 90.0° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C04 | C05 | N06 | H19 | 120.8° | 120.0° |
| C04 | C05 | N06 | H20 | 120.7° | 120.0° |
| C04 | C05 | N06 | C07 | 178.9° | 174.1° |
| C05 | C04 | C02 | C03 | 76.2° | 62.3° |
| C05 | C04 | C02 | H17 | 120.4° | 119.9° |
| C05 | C04 | C02 | H18 | 120.4° | 120.0° |
| C04 | C05 | N06 | C44 | 54.2° | 61.7° |
| C05 | C04 | C02 | C45 | 43.8° | 57.6° |
| C05 | C04 | C02 | C01 | 161.2° | 177.6° |
| C05 | C04 | H17 | H18 | 118.7° | 120.1° |
| C04 | C05 | H19 | H20 | 117.7° | 120.0° |
| C05 | N06 | C07 | C44 | 125.8° | 124.2° |
| C05 | N06 | C07 | C08 | 162.7° | 170.0° |
| N06 | C05 | C04 | C02 | 46.3° | 59.1° |
| C05 | N06 | C44 | C45 | 61.7° | 61.8° |
| N06 | C05 | C04 | H17 | 166.8° | 60.8° |
| N06 | C05 | C04 | H18 | 74.1° | 179.1° |
| N06 | C05 | H19 | H20 | 117.6° | 119.9° |
| C05 | N06 | C07 | H21 | 42.6° | 70.0° |
| C05 | N06 | C07 | H22 | 77.2° | 49.9° |
| C05 | N06 | C44 | H35 | 177.5° | 58.3° |
| C05 | N06 | C44 | H36 | 59.0° | 178.3° |
| N06 | C07 | C08 | H21 | 120.1° | 120.0° |
| N06 | C07 | C08 | H22 | 120.1° | 120.0° |
| N06 | C07 | C08 | C09 | 97.1° | 89.9° |
| N06 | C07 | C08 | C11 | 81.6° | 89.9° |
| C07 | N06 | C44 | C45 | 174.2° | 174.1° |
| C07 | N06 | C05 | H19 | 60.3° | 54.1° |
| C07 | N06 | C05 | H20 | 58.2° | 65.9° |
| N06 | C07 | H21 | H22 | 119.8° | 120.0° |
| C07 | N06 | C44 | H35 | 53.4° | 65.8° |
| C07 | N06 | C44 | H36 | 65.0° | 54.2° |
| C08 | C07 | N06 | C44 | 71.5° | 65.8° |
| C07 | C08 | C09 | C11 | 178.7° | 179.9° |
| C07 | C08 | C09 | C10 | 178.3° | 180.0° |
| C07 | C08 | C11 | C12 | 178.0° | 179.7° |
| C08 | C07 | H21 | H22 | 119.8° | 120.0° |
| C07 | C08 | C09 | H23 | 1.8° | 0.1° |
| C07 | C08 | C11 | H24 | 1.9° | 0.1° |
| C40 | C39 | C38 | H32 | 180.0° | 179.5° |
| C39 | C40 | C31 | H33 | 180.0° | 179.4° |
| C40 | C39 | C38 | C33 | 0.4° | 0.3° |
| C39 | C40 | C31 | C30 | 179.6° | 179.7° |
| C39 | C40 | C31 | C32 | 0.3° | 0.6° |
| C40 | C39 | C38 | H31 | 179.6° | 179.8° |
| C38 | C39 | C40 | C31 | 0.4° | 0.6° |
| C39 | C38 | C33 | H31 | 180.0° | 180.0° |
| C39 | C38 | C33 | C32 | 0.2° | 0.0° |
| C38 | C39 | C40 | H33 | 179.6° | 180.0° |
| C39 | C38 | C33 | C1 | 0.6° | 180.0° |
| C40 | C31 | C30 | C32 | 179.9° | 179.7° |
| C40 | C31 | C30 | N29 | 178.1° | 90.3° |
| C40 | C31 | C32 | C33 | 0.2° | 0.3° |
| C40 | C31 | C30 | H27 | 57.4° | 29.7° |
| C40 | C31 | C30 | H28 | 61.2° | 149.7° |
| C40 | C31 | C32 | H29 | 179.9° | 179.7° |
| C31 | C40 | C39 | H32 | 179.6° | 179.9° |
| C03 | C02 | C04 | C45 | 120.0° | 119.9° |
| C03 | C02 | C04 | C01 | 122.6° | 120.2° |
| C03 | C02 | C45 | C44 | 73.7° | 62.3° |
| C03 | C02 | C45 | C01 | 120.6° | 120.1° |
| C03 | C02 | C01 | H11 | 180.0° | 60.1° |
| C03 | C02 | C01 | H12 | 60.0° | 59.9° |
| C03 | C02 | C01 | H13 | 60.0° | 179.9° |
| C02 | C03 | H14 | H15 | 120.0° | 119.9° |
| C02 | C03 | H14 | H16 | 120.0° | 120.0° |
| C02 | C03 | H15 | H16 | 120.0° | 120.0° |
| C03 | C02 | C04 | H17 | 44.2° | 177.8° |
| C03 | C02 | C04 | H18 | 163.3° | 57.7° |
| C03 | C02 | C45 | H37 | 166.4° | 57.6° |
| C03 | C02 | C45 | H38 | 46.2° | 177.7° |
| C04 | C02 | C45 | C44 | 48.1° | 57.6° |
| C04 | C02 | C45 | C01 | 117.7° | 119.9° |
| C04 | C02 | C01 | H11 | 57.5° | 179.7° |
| C04 | C02 | C01 | H12 | 177.5° | 60.3° |
| C04 | C02 | C01 | H13 | 62.6° | 59.7° |
| C04 | C02 | C03 | H14 | 180.0° | 59.7° |
| C04 | C02 | C03 | H15 | 60.0° | 60.3° |
| C04 | C02 | C03 | H16 | 60.0° | 179.7° |
| C02 | C04 | H17 | H18 | 118.7° | 120.1° |
| C02 | C04 | C05 | H19 | 167.1° | 179.2° |
| C02 | C04 | C05 | H20 | 74.4° | 60.8° |
| C04 | C02 | C45 | H37 | 71.8° | 177.6° |
| C04 | C02 | C45 | H38 | 167.9° | 62.3° |
| N06 | C44 | C45 | H35 | 120.8° | 120.1° |
| N06 | C44 | C45 | H36 | 120.8° | 120.0° |
| N06 | C44 | C45 | C02 | 58.6° | 59.2° |
| C44 | N06 | C05 | H19 | 175.0° | 178.2° |
| C44 | N06 | C05 | H20 | 66.5° | 58.3° |
| C44 | N06 | C07 | H21 | 168.5° | 54.2° |
| C44 | N06 | C07 | H22 | 48.6° | 174.2° |
| N06 | C44 | H35 | H36 | 117.5° | 120.0° |
| N06 | C44 | C45 | H37 | 61.3° | 179.1° |
| N06 | C44 | C45 | H38 | 178.5° | 60.7° |
| C08 | C09 | C10 | H23 | 180.0° | 179.9° |
| C09 | C08 | C11 | C12 | 0.6° | 0.4° |
| C08 | C09 | C10 | C14 | 0.2° | 0.1° |
| C08 | C09 | C10 | H1 | 179.8° | 179.8° |
| C09 | C08 | C07 | H21 | 142.8° | 150.1° |
| C09 | C08 | C07 | H22 | 23.0° | 30.1° |
| C09 | C08 | C11 | H24 | 179.4° | 180.0° |
| C11 | C08 | C09 | C10 | 0.4° | 0.1° |
| C08 | C11 | C12 | H24 | 180.0° | 179.6° |
| C08 | C11 | C12 | C14 | 0.6° | 0.6° |
| C08 | C11 | C12 | O13 | 179.9° | 179.9° |
| C11 | C08 | C07 | H21 | 38.5° | 30.1° |
| C11 | C08 | C07 | H22 | 158.4° | 150.0° |
| C11 | C08 | C09 | H23 | 179.5° | 180.0° |
| C38 | C33 | C32 | C31 | 0.1° | 0.0° |
| C38 | C33 | C32 | C1 | 0.7° | 180.0° |
| C38 | C33 | C32 | H29 | 179.9° | 180.0° |
| C33 | C38 | C39 | H32 | 179.6° | 179.7° |
| C38 | C33 | C1 | O1 | 90.0° | 180.0° |
| C38 | C33 | C1 | N1 | 90.0° | 0.0° |
| C44 | C45 | C02 | H37 | 119.9° | 119.9° |
| C44 | C45 | C02 | H38 | 119.9° | 119.9° |
| C44 | C45 | C02 | C01 | 165.8° | 177.6° |
| C45 | C44 | H35 | H36 | 117.5° | 119.9° |
| C44 | C45 | H37 | H38 | 120.4° | 120.2° |
| C45 | C02 | C01 | H11 | 61.3° | 60.0° |
| C45 | C02 | C01 | H12 | 58.7° | 179.9° |
| C45 | C02 | C01 | H13 | 178.7° | 60.0° |
| C45 | C02 | C03 | H14 | 59.1° | 60.0° |
| C45 | C02 | C03 | H15 | 60.9° | 180.0° |
| C45 | C02 | C03 | H16 | 179.1° | 60.0° |
| C45 | C02 | C04 | H17 | 164.2° | 62.3° |
| C45 | C02 | C04 | H18 | 76.6° | 177.6° |
| C02 | C45 | C44 | H35 | 179.4° | 60.9° |
| C02 | C45 | C44 | H36 | 62.2° | 179.1° |
| C02 | C45 | H37 | H38 | 120.4° | 120.1° |
| C02 | C01 | H11 | H12 | 120.0° | 120.0° |
| C02 | C01 | H11 | H13 | 120.0° | 120.0° |
| C02 | C01 | H12 | H13 | 120.0° | 120.0° |
| C01 | C02 | C03 | H14 | 59.2° | 179.8° |
| C01 | C02 | C03 | H15 | 179.2° | 59.9° |
| C01 | C02 | C03 | H16 | 60.8° | 60.1° |
| C01 | C02 | C04 | H17 | 78.4° | 57.7° |
| C01 | C02 | C04 | H18 | 40.7° | 62.4° |
| C01 | C02 | C45 | H37 | 45.9° | 62.5° |
| C01 | C02 | C45 | H38 | 74.4° | 57.6° |
| C09 | C10 | C14 | H1 | 180.0° | 179.7° |
| C09 | C10 | C14 | C12 | 0.2° | 0.3° |
| C09 | C10 | C14 | C15 | 180.0° | 179.7° |
| C11 | C12 | C14 | C10 | 0.4° | 0.6° |
| C11 | C12 | C14 | O13 | 179.3° | 179.5° |
| C11 | C12 | C14 | C15 | 179.8° | 179.5° |
| C11 | C12 | O13 | H42 | 180.0° | 90.0° |
| C31 | C30 | N29 | H27 | 120.7° | 120.0° |
| C31 | C30 | N29 | H28 | 120.7° | 120.0° |
| C30 | C31 | C32 | C33 | 179.8° | 180.0° |
| C31 | C30 | N29 | C28 | 92.9° | 180.0° |
| C31 | C30 | H27 | H28 | 117.7° | 120.1° |
| C30 | C31 | C32 | H29 | 0.2° | 0.1° |
| C30 | C31 | C40 | H33 | 0.4° | 0.3° |
| C31 | C30 | N29 | H41 | 145.2° | 0.0° |
| C32 | C31 | C30 | N29 | 1.8° | 90.0° |
| C31 | C32 | C33 | H29 | 180.0° | 180.0° |
| C32 | C31 | C30 | H27 | 122.6° | 150.0° |
| C32 | C31 | C30 | H28 | 118.9° | 29.9° |
| C32 | C31 | C40 | H33 | 179.7° | 180.0° |
| C31 | C32 | C33 | C1 | 0.8° | 180.0° |
| C30 | N29 | C28 | H41 | 121.9° | 180.0° |
| C30 | N29 | C28 | C41 | 1.3° | 0.1° |
| C30 | N29 | C28 | N27 | 178.2° | 180.0° |
| N29 | C30 | H27 | H28 | 117.8° | 120.0° |
| C10 | C14 | C12 | C15 | 179.8° | 180.0° |
| C10 | C14 | C12 | O13 | 179.7° | 180.0° |
| C10 | C14 | C15 | O43 | 7.2° | 180.0° |
| C10 | C14 | C15 | N16 | 171.1° | 0.0° |
| C14 | C10 | C09 | H23 | 179.8° | 179.9° |
| C12 | C14 | C15 | O43 | 173.0° | 0.0° |
| C12 | C14 | C15 | N16 | 8.7° | 179.9° |
| C12 | C14 | C10 | H1 | 179.8° | 180.0° |
| C14 | C12 | C11 | H24 | 179.4° | 179.8° |
| C14 | C12 | O13 | H42 | 0.7° | 89.4° |
| O13 | C12 | C14 | C15 | 0.5° | 0.0° |
| O13 | C12 | C11 | H24 | 0.1° | 0.3° |
| C32 | C33 | C38 | H31 | 179.8° | 180.0° |
| C32 | C33 | C1 | O1 | 90.0° | 0.0° |
| C32 | C33 | C1 | N1 | 90.0° | 180.0° |
| C14 | C15 | O43 | N16 | 178.2° | 180.0° |
| C14 | C15 | N16 | C17 | 179.7° | 180.0° |
| C15 | C14 | C10 | H1 | 0.0° | 0.0° |
| C14 | C15 | N16 | H40 | 0.3° | 0.0° |
| C20 | C21 | N23 | H6 | 120.4° | 120.0° |
| C20 | C21 | N23 | H7 | 120.4° | 120.0° |
| C21 | C20 | C19 | H4 | 120.4° | 119.9° |
| C21 | C20 | C19 | H5 | 120.4° | 120.0° |
| C21 | C20 | C19 | C18 | 58.1° | 57.6° |
| C20 | C21 | N23 | C24 | 136.1° | 174.1° |
| C20 | C21 | N23 | C22 | 39.1° | 61.8° |
| C21 | C20 | H4 | H5 | 118.8° | 120.1° |
| C20 | C21 | H6 | H7 | 118.9° | 119.9° |
| C21 | C20 | C19 | H25 | 178.2° | 62.2° |
| C21 | C20 | C19 | H26 | 62.0° | 177.6° |
| N23 | C21 | C20 | C19 | 45.0° | 59.2° |
| C21 | N23 | C24 | C41 | 26.5° | 56.2° |
| C21 | N23 | C24 | C22 | 175.2° | 124.3° |
| C21 | N23 | C24 | N25 | 153.5° | 123.9° |
| C21 | N23 | C22 | C18 | 43.8° | 61.7° |
| N23 | C21 | C20 | H4 | 75.4° | 179.1° |
| N23 | C21 | C20 | H5 | 165.4° | 60.8° |
| N23 | C21 | H6 | H7 | 118.9° | 120.0° |
| C21 | N23 | C22 | H8 | 76.7° | 58.2° |
| C21 | N23 | C22 | H9 | 164.3° | 178.3° |
| N29 | C28 | C41 | N27 | 179.5° | 179.9° |
| N29 | C28 | C41 | C24 | 179.5° | 180.0° |
| N29 | C28 | N27 | C26 | 178.7° | 180.0° |
| C28 | N29 | C30 | H27 | 27.8° | 60.0° |
| C28 | N29 | C30 | H28 | 146.4° | 60.0° |
| N29 | C28 | C41 | H34 | 0.5° | 0.1° |
| C20 | C19 | C18 | H25 | 120.1° | 119.9° |
| C20 | C19 | C18 | H26 | 120.1° | 119.9° |
| C20 | C19 | C18 | C22 | 60.7° | 57.6° |
| C20 | C19 | C18 | C17 | 177.6° | 62.3° |
| C20 | C19 | C18 | O42 | 60.1° | 177.6° |
| C19 | C20 | H4 | H5 | 118.8° | 120.1° |
| C19 | C20 | C21 | H6 | 75.4° | 179.2° |
| C19 | C20 | C21 | H7 | 165.4° | 60.8° |
| C20 | C19 | H25 | H26 | 119.7° | 120.2° |
| C28 | C41 | C24 | H34 | 180.0° | 179.8° |
| C28 | C41 | C24 | N23 | 179.6° | 179.7° |
| C28 | C41 | C24 | N25 | 0.3° | 0.1° |
| C41 | C28 | N27 | C26 | 0.8° | 0.1° |
| C41 | C28 | N29 | H41 | 120.6° | 180.0° |
| C41 | C24 | N23 | N25 | 179.9° | 179.9° |
| C41 | C24 | N23 | C22 | 158.3° | 179.5° |
| C24 | C41 | C28 | N27 | 0.0° | 0.1° |
| C41 | C24 | N25 | C26 | 0.2° | 0.1° |
| C19 | C18 | C22 | N23 | 52.3° | 59.1° |
| C19 | C18 | C17 | N16 | 60.4° | 55.2° |
| C19 | C18 | C22 | C17 | 122.8° | 119.9° |
| C19 | C18 | C22 | O42 | 120.2° | 120.0° |
| C19 | C18 | C17 | O42 | 119.6° | 120.1° |
| C19 | C18 | C17 | H2 | 59.4° | 64.8° |
| C19 | C18 | C17 | H3 | 179.7° | 175.2° |
| C18 | C19 | C20 | H4 | 62.3° | 177.6° |
| C18 | C19 | C20 | H5 | 178.5° | 62.3° |
| C19 | C18 | C22 | H8 | 68.2° | 60.9° |
| C19 | C18 | C22 | H9 | 172.8° | 179.2° |
| C18 | C19 | H25 | H26 | 119.7° | 120.2° |
| C19 | C18 | O42 | H43 | 180.0° | 60.2° |
| O43 | C15 | N16 | C17 | 1.5° | 0.0° |
| O43 | C15 | N16 | H40 | 178.5° | 180.0° |
| C15 | N16 | C17 | H40 | 180.0° | 180.0° |
| C15 | N16 | C17 | C18 | 101.0° | 180.0° |
| C15 | N16 | C17 | H2 | 18.9° | 60.0° |
| C15 | N16 | C17 | H3 | 139.2° | 60.0° |
| C24 | N23 | C22 | C18 | 131.2° | 174.1° |
| N23 | C24 | N25 | C26 | 179.8° | 179.8° |
| C24 | N23 | C21 | H6 | 103.5° | 54.1° |
| C24 | N23 | C21 | H7 | 15.8° | 65.9° |
| C24 | N23 | C22 | H8 | 108.2° | 65.9° |
| C24 | N23 | C22 | H9 | 10.7° | 54.2° |
| N23 | C24 | C41 | H34 | 0.4° | 0.1° |
| C22 | N23 | C24 | N25 | 21.6° | 0.4° |
| N23 | C22 | C18 | H8 | 120.5° | 120.0° |
| N23 | C22 | C18 | H9 | 120.5° | 120.0° |
| N23 | C22 | C18 | C17 | 175.1° | 60.8° |
| N23 | C22 | C18 | O42 | 67.9° | 179.1° |
| C22 | N23 | C21 | H6 | 81.3° | 178.3° |
| C22 | N23 | C21 | H7 | 159.4° | 58.2° |
| N23 | C22 | H8 | H9 | 118.4° | 120.1° |
| C28 | N27 | C26 | N25 | 1.4° | 0.1° |
| C28 | N27 | C26 | H10 | 178.7° | 179.9° |
| N27 | C28 | C41 | H34 | 180.0° | 180.0° |
| N27 | C28 | N29 | H41 | 59.9° | 0.1° |
| C24 | N25 | C26 | N27 | 1.1° | 0.1° |
| C24 | N25 | C26 | H10 | 179.0° | 179.9° |
| N25 | C24 | C41 | H34 | 179.7° | 180.0° |
| N16 | C17 | C18 | C22 | 60.3° | 175.0° |
| N16 | C17 | C18 | H2 | 119.9° | 120.0° |
| N16 | C17 | C18 | H3 | 119.9° | 120.0° |
| N16 | C17 | C18 | O42 | 180.0° | 64.9° |
| N16 | C17 | H2 | H3 | 120.4° | 120.0° |
| C22 | C18 | C17 | O42 | 119.6° | 120.1° |
| C22 | C18 | C17 | H2 | 179.8° | 55.0° |
| C22 | C18 | C17 | H3 | 59.5° | 65.0° |
| C18 | C22 | H8 | H9 | 118.5° | 119.9° |
| C22 | C18 | C19 | H25 | 179.2° | 62.3° |
| C22 | C18 | C19 | H26 | 59.4° | 177.5° |
| C22 | C18 | O42 | H43 | 60.5° | 180.0° |
| C18 | C17 | H2 | H3 | 120.4° | 120.0° |
| C17 | C18 | C22 | H8 | 54.6° | 179.2° |
| C17 | C18 | C22 | H9 | 64.4° | 59.3° |
| C17 | C18 | C19 | H25 | 57.5° | 177.8° |
| C17 | C18 | C19 | H26 | 62.3° | 57.6° |
| C18 | C17 | N16 | H40 | 79.1° | 0.0° |
| C17 | C18 | O42 | H43 | 58.9° | 59.9° |
| O42 | C18 | C17 | H2 | 60.2° | 175.1° |
| O42 | C18 | C17 | H3 | 60.1° | 55.1° |
| O42 | C18 | C22 | H8 | 171.5° | 59.1° |
| O42 | C18 | C22 | H9 | 52.5° | 60.8° |
| O42 | C18 | C19 | H25 | 60.0° | 57.8° |
| O42 | C18 | C19 | H26 | 179.8° | 62.4° |
| N27 | C26 | N25 | H10 | 180.0° | 180.0° |
| H1 | C10 | C09 | H23 | 0.2° | 0.3° |
| H2 | C17 | N16 | H40 | 161.1° | 120.0° |
| H3 | C17 | N16 | H40 | 40.8° | 120.0° |
| H4 | C20 | C21 | H6 | 164.3° | 60.9° |
| H4 | C20 | C21 | H7 | 45.0° | 59.1° |
| H4 | C20 | C19 | H25 | 57.8° | 57.7° |
| H4 | C20 | C19 | H26 | 177.6° | 62.5° |
| H5 | C20 | C21 | H6 | 45.1° | 59.3° |
| H5 | C20 | C21 | H7 | 74.2° | 179.2° |
| H5 | C20 | C19 | H25 | 61.4° | 177.8° |
| H5 | C20 | C19 | H26 | 58.4° | 57.6° |
| H11 | C01 | H12 | H13 | 120.0° | 120.0° |
| H14 | C03 | H15 | H16 | 120.0° | 120.1° |
| H17 | C04 | C05 | H19 | 72.5° | 59.3° |
| H17 | C04 | C05 | H20 | 46.0° | 179.3° |
| H18 | C04 | C05 | H19 | 46.7° | 60.9° |
| H18 | C04 | C05 | H20 | 165.2° | 59.1° |
| H27 | C30 | N29 | H41 | 94.1° | 120.0° |
| H28 | C30 | N29 | H41 | 24.5° | 120.0° |
| H29 | C32 | C33 | C1 | 179.2° | 0.0° |
| H31 | C38 | C39 | H32 | 0.4° | 0.3° |
| H31 | C38 | C33 | C1 | 179.4° | 0.0° |
| H32 | C39 | C40 | H33 | 0.5° | 0.5° |
| H35 | C44 | C45 | H37 | 59.5° | 59.0° |
| H35 | C44 | C45 | H38 | 60.7° | 179.2° |
| H36 | C44 | C45 | H37 | 177.9° | 60.9° |
| H36 | C44 | C45 | H38 | 57.7° | 59.3° |
| C33 | C1 | O1 | N1 | 90.0° | 180.0° |
| C33 | C1 | N1 | C4 | 90.0° | 180.0° |
| C33 | C1 | N1 | H30 | 90.0° | 0.1° |
| O1 | C1 | N1 | C4 | 90.0° | 0.1° |
| O1 | C1 | N1 | H30 | 90.0° | 180.0° |
| C1 | N1 | C4 | H30 | 90.0° | 179.9° |
| C1 | N1 | C4 | H39 | 90.0° | 180.0° |
| C1 | N1 | C4 | H44 | 90.0° | 60.0° |
| C1 | N1 | C4 | H45 | 90.0° | 60.1° |
| N1 | C4 | H39 | H44 | 90.0° | 120.0° |
| N1 | C4 | H39 | H45 | 90.0° | 120.0° |
| N1 | C4 | H44 | H45 | 90.0° | 120.0° |
| H30 | N1 | C4 | H39 | 90.0° | 0.1° |
| H30 | N1 | C4 | H44 | 90.0° | 119.9° |
| H30 | N1 | C4 | H45 | 90.0° | 120.0° |
| H39 | C4 | H44 | H45 | 90.0° | 120.0° |
